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Information card for entry 7702139
Preview
| Coordinates | 7702139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H26 Cl2 F3 Ir N6 O3 S |
|---|---|
| Calculated formula | C29 H24 F3 Ir N6 O3 S |
| Title of publication | Iridium(iii) complexes with five-membered heterocyclic ligands for combined photodynamic therapy and photoactivated chemotherapy. |
| Authors of publication | Wu, Na; Cao, Jian-Jun; Wu, Xiao-Wen; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 39 |
| Pages of publication | 13482 - 13491 |
| a | 24.0303 ± 0.0003 Å |
| b | 15.93 ± 0.0002 Å |
| c | 17.5507 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6718.45 ± 0.17 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c e |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.0837 |
| Residual factor for significantly intense reflections | 0.078 |
| Weighted residual factors for significantly intense reflections | 0.2275 |
| Weighted residual factors for all reflections included in the refinement | 0.2401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235647 (current) | 2019-11-23 | cif/ Adding structures of 7702139 via cif-deposit CGI script. |
7702139.cif |
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Users of the data should acknowledge the original authors of the
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